1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone

C19H35N3O — CID 172604358

IUPAC1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O/c1-16(23)22-12-6-18(7-13-22)14-17-4-10-21(11-5-17)15-19-2-8-20-9-3-19/h17-20H,2-15H2,1H3
InChIKeySKHOIXWEGXRPFH-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.35
Rot. Bonds4

About 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 172604358) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID172604358
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O/c1-16(23)22-12-6-18(7-13-22)14-17-4-10-21(11-5-17)15-19-2-8-20-9-3-19/h17-20H,2-15H2,1H3
InChIKeySKHOIXWEGXRPFH-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(dipropylamino)methyl]piperidin-1-yl]ethanone;ethane;1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanone
CID 165137971
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl carbamate
CID 175359661
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
N-tert-butyl-4-(piperidin-4-ylmethyl)piperazine-1-carboxamide
CID 120849271
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone (CID 172604358) is 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC2CCN(CC3CCNCC3)CC2)CC1.
What is the InChIKey of 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is SKHOIXWEGXRPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16(23)22-12-6-18(7-13-22)14-17-4-10-21(11-5-17)15-19-2-8-20-9-3-19/h17-20H,2-15H2,1H3.
What are the key properties of 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 321.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 172604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).