N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine

C15H28N2O — CID 120841561

IUPACN-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
SMILESC1CC(CCN2CCC(NCC3CC3)CC2)CO1
InChIInChI=1S/C15H28N2O/c1-2-13(1)11-16-15-4-8-17(9-5-15)7-3-14-6-10-18-12-14/h13-16H,1-12H2
InChIKeyVDINHMVDGOTIKJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine (PubChem CID 120841561) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
PubChem CID120841561
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine
SMILESC1CC(CCN2CCC(NCC3CC3)CC2)CO1
InChIInChI=1S/C15H28N2O/c1-2-13(1)11-16-15-4-8-17(9-5-15)7-3-14-6-10-18-12-14/h13-16H,1-12H2
InChIKeyVDINHMVDGOTIKJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(oxan-4-ylmethyl)piperidin-4-amine
CID 62386509
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
1-tert-butyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 54866671
N-(oxan-4-ylmethyl)-1-prop-2-ynylpiperidin-4-amine
CID 63727151
N-(oxolan-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 43206664
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]methanol
CID 102670847
4-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-ol
CID 115307344
N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
CID 115306885
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine (CID 120841561) is N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine is C1CC(CCN2CCC(NCC3CC3)CC2)CO1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine?
The InChIKey is VDINHMVDGOTIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-13(1)11-16-15-4-8-17(9-5-15)7-3-14-6-10-18-12-14/h13-16H,1-12H2.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(oxolan-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 120841561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).