N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C19H31ClN2O — CID 120842554

IUPACN-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-2-20-13-16-9-11-21(12-10-16)14-17-5-7-19(8-6-17)22-15-18-3-4-18;/h5-8,16,18,20H,2-4,9-15H2,1H3;1H
InChIKeyYHJPURNYPLYJFI-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.72
Rot. Bonds8

About N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 120842554) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID120842554
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-2-20-13-16-9-11-21(12-10-16)14-17-5-7-19(8-6-17)22-15-18-3-4-18;/h5-8,16,18,20H,2-4,9-15H2,1H3;1H
InChIKeyYHJPURNYPLYJFI-UHFFFAOYSA-N
XLogP3.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927795
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119048678
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 80550714

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 120842554) is N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2ccc(OCC3CC3)cc2)CC1.Cl.
What is the InChIKey of N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is YHJPURNYPLYJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-2-20-13-16-9-11-21(12-10-16)14-17-5-7-19(8-6-17)22-15-18-3-4-18;/h5-8,16,18,20H,2-4,9-15H2,1H3;1H.
What are the key properties of N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120842554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).