(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine

C11H24N2O — CID 39221513

IUPAC(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
SMILESCC(C)OCCCN1CCC[C@H](N)C1
InChIInChI=1S/C11H24N2O/c1-10(2)14-8-4-7-13-6-3-5-11(12)9-13/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyVTISITMJPLQSNK-NSHDSACASA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds5

About (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine

(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine (PubChem CID 39221513) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
PubChem CID39221513
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
SMILESCC(C)OCCCN1CCC[C@H](N)C1
InChIInChI=1S/C11H24N2O/c1-10(2)14-8-4-7-13-6-3-5-11(12)9-13/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1
InChIKeyVTISITMJPLQSNK-NSHDSACASA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Propoxypiperidine
CID 11492037
1-(3-Methoxypropyl)-4-piperidinamine
CID 12088093
4-(Propan-2-yloxy)piperidine
CID 21501982
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
2-(2,5-Dimethylmorpholin-4-yl)ethan-1-amine
CID 43544264
N-(2-aminoethyl)-N-methyloxan-4-amine
CID 43610817
4-Methoxy-1-(pyrrolidin-3-yl)piperidine
CID 62327575
Dimethyl[3-(piperidin-4-yloxy)propyl]amine
CID 61103075
4-(Butan-2-yloxy)piperidine
CID 43346315
2-(4-Methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 43372742
2-(4-Methoxypiperidin-1-yl)cyclohexan-1-amine
CID 43372814

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine?
The IUPAC name of (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine (CID 39221513) is (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine is CC(C)OCCCN1CCC[C@H](N)C1.
What is the InChIKey of (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine?
The InChIKey is VTISITMJPLQSNK-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)14-8-4-7-13-6-3-5-11(12)9-13/h10-11H,3-9,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine?
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine is sourced from PubChem (CID 39221513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).